2-(4-chlorophenyl)-4-(4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-5-carbonitrile
TL;DR: 2-(4-chlorophenyl)-4-(4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-5-carbonitrile (CAS 400079-40-5) is a chemical compound with molecular formula C23H22ClN5O and molecular weight 419.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-4-(4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-5-carbonitrile
Also Known As: 2-(4-chlorophenyl)-4-(4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-5-carbonitrile, 2J-059, 2-(4-chlorophenyl)-4-(4-methoxyphenyl)-6-(4-methylpiperazino)-5-pyrimidinecarbonitrile
| Molecular Formula | C23H22ClN5O |
|---|---|
| Molecular Weight | 419.15 g/mol |
| LogP | 4.09608 |
| Topological Polar Surface Area | 65.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 419.15128 |
| Heavy Atoms | 30 |
| Complexity | 1068.4879 |
Chemical Identifiers
| CAS Number | 400079-40-5 |
|---|---|
| SMILES | CN1CCN(CC1)C2=NC(=NC(=C2C#N)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)Cl |
Product Overview
2-(4-chlorophenyl)-4-(4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-5-carbonitrile (CAS 400079-40-5), with molecular formula C23H22ClN5O and molecular weight 419.15 g/mol. IUPAC: 2-(4-chlorophenyl)-4-(4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-5-carbonitrile.
Chemical Property Profile of 2-(4-chlorophenyl)-4-(4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-5-carbonitrile
Property Insights of 2-(4-chlorophenyl)-4-(4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-5-carbonitrile
The XLogP value of 4.09608 indicates that 2-(4-chlorophenyl)-4-(4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-5-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-chlorophenyl)-4-(4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-5-carbonitrile. Following Lipinski's Rule of Five, 2-(4-chlorophenyl)-4-(4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-5-carbonitrile has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(4-chlorophenyl)-4-(4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-5-carbonitrile?
The CAS number of 2-(4-chlorophenyl)-4-(4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-5-carbonitrile is 400079-40-5.
What is the molecular formula of 2-(4-chlorophenyl)-4-(4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-5-carbonitrile?
The molecular formula of 2-(4-chlorophenyl)-4-(4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-5-carbonitrile is C23H22ClN5O.
What is the molecular weight of 2-(4-chlorophenyl)-4-(4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-5-carbonitrile?
The molecular weight of 2-(4-chlorophenyl)-4-(4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-5-carbonitrile is 419.15 g/mol.
Where can I buy 2-(4-chlorophenyl)-4-(4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-5-carbonitrile?
You can request a quote for 2-(4-chlorophenyl)-4-(4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-chlorophenyl)-4-(4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-chlorophenyl)-4-(4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.